Match comparison for Benzene Energy [step 20] (match type 20284)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565857691556e+01 | 3.740000000000000e-13 | -3.744565857691550e+01 | 1.223014481297038e-13 | -3.744565857691555e+01 | 2.238209617644316e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -37.445658576915555, precision: 0.000000000000374| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -3.744565857691578e+01 | -2.202682480856311e-13 | -5.889525349883183e-01 | PASS |
| foss-serial: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.744565857691565e+01 | -9.237055564881302e-14 | -2.469800953176819e-01 | PASS |
| ppc: [foss2023a-serial] | -3.744565857691560e+01 | -4.263256414560601e-14 | -1.139908132235455e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.744565857691565e+01 | -9.237055564881302e-14 | -2.469800953176819e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.744565857691541e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.744565857691559e+01 | -3.552713678800501e-14 | -9.499234435295456e-02 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.744565857691543e+01 | 1.278976924368180e-13 | 3.419724396706365e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.744565857691533e+01 | 2.273736754432321e-13 | 6.079510038589092e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.744565857691535e+01 | 2.060573933704291e-13 | 5.509555972471365e-01 | PASS |